Molecule

Phyllostictine C

AlkaPlorer ID: AK086473

Synonym: None

IUPAC Name: (2S,3R,4S)-2-heptyl-3,4-dihydroxy-3-(hydroxymethyl)-6-methoxy-7-methylidene-2,4-dihydropyrano[2,3-c]pyrrol-5-one

Structure

SMILES: C=C1C2=C(C(=O)N1OC)[C@H](O)[C@](O)(CO)[C@H](CCCCCCC)O2

InChI: InChI=1S/C17H27NO6/c1-4-5-6-7-8-9-12-17(22,10-19)15(20)13-14(24-12)11(2)18(23-3)16(13)21/h12,15,19-20,22H,2,4-10H2,1,3H3/t12-,15-,17-/m0/s1

InChIKey: OMFBMAYQAGJDSA-NUTKFTJISA-N

Reference

Phyllostictines A–D, oxazatricycloalkenones produced by Phyllosticta cirsii, a potential mycoherbicide for Cirsium arvense biocontrol

PubChem CID: 145720544

LOTUS: LTS0076928

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NPAtlas: NPA008505

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Cirsium arvense	Cirsium	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 341.40400000000017

TPSA？: 99.46

MolLogP？: 1.0013999999999994

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi